N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C16H32N2O — CID 55090223

IUPACN'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCC(C)CC1)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-3-18(13-16-5-4-12-19-16)11-10-17-15-8-6-14(2)7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyCUWBLBDXWTVDBT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55090223) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID55090223
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCC(C)CC1)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-3-18(13-16-5-4-12-19-16)11-10-17-15-8-6-14(2)7-9-15/h14-17H,3-13H2,1-2H3
InChIKeyCUWBLBDXWTVDBT-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62429287
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62256933
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62609399
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 55090223) is N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CCNC1CCC(C)CC1)CC1CCCO1.
What is the InChIKey of N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CUWBLBDXWTVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-18(13-16-5-4-12-19-16)11-10-17-15-8-6-14(2)7-9-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55090223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).